orbital_charges     :real:2:4,3
  0.173421756251615E+001  0.168107426816859E+001  0.117732175566527E+001
  0.200000000000000E+001  0.703693206824963E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.703693206825027E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
forces              :real:2:3,3
 -0.751481626978672E-021 -0.299935706826737E-008  0.605071548420710E-014
 -0.187029826495451E-013  0.149991701003938E-008  0.267551705790403E-008
  0.187029834010267E-013  0.149944004435021E-008 -0.267552310861952E-008
mermin_energy       :real:0:
 -0.407793793398691E+001
end_coords          :real:2:3,3
 -0.161284543691257E-020 -0.135304391805757E+001  0.963167333532750E-012
 -0.124736240575059E-012 -0.268341035259259E+000  0.147113678002104E+001
  0.124736242187905E-012 -0.268341035262097E+000 -0.147113678002200E+001
